2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one

C30H32N6O2 — CID 71096321

IUPAC2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one
SMILESNCCc1ccc(Nc2ncc3c(=O)c(C(=O)N4CCCCC4)cn(-c4ccc5c(c4)CCC5)c3n2)cc1
InChIInChI=1S/C30H32N6O2/c31-14-13-20-7-10-23(11-8-20)33-30-32-18-25-27(37)26(29(38)35-15-2-1-3-16-35)19-36(28(25)34-30)24-12-9-21-5-4-6-22(21)17-24/h7-12,17-19H,1-6,13-16,31H2,(H,32,33,34)
InChIKeyMGHBOTHSDNGFCM-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.14
Rot. Bonds6

About 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one

2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one (PubChem CID 71096321) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one
PubChem CID71096321
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one
SMILESNCCc1ccc(Nc2ncc3c(=O)c(C(=O)N4CCCCC4)cn(-c4ccc5c(c4)CCC5)c3n2)cc1
InChIInChI=1S/C30H32N6O2/c31-14-13-20-7-10-23(11-8-20)33-30-32-18-25-27(37)26(29(38)35-15-2-1-3-16-35)19-36(28(25)34-30)24-12-9-21-5-4-6-22(21)17-24/h7-12,17-19H,1-6,13-16,31H2,(H,32,33,34)
InChIKeyMGHBOTHSDNGFCM-UHFFFAOYSA-N
XLogP4.14
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86620190
2-[4-[2-(4-acetylpiperazin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724000
8-(2,3-dihydro-1H-inden-5-yl)-2-(4-fluoroanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 141171388
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 25222985
ethyl 8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-methylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 69099129
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59723987
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-morpholin-4-ylsulfonylethyl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 69182393
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-[3-(methanesulfonamido)-3-oxopropyl]anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724136
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(pyridin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724160
2-[4-(2-aminoethyl)anilino]-8-(3-chloro-4-fluorophenyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 71096320
4-[[8-(2,3-dihydro-1H-inden-5-yl)-6-(methoxycarbamoyl)-5-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzenesulfinic acid
CID 89270255
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24784165

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one (CID 71096321) is 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one is NCCc1ccc(Nc2ncc3c(=O)c(C(=O)N4CCCCC4)cn(-c4ccc5c(c4)CCC5)c3n2)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is MGHBOTHSDNGFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c31-14-13-20-7-10-23(11-8-20)33-30-32-18-25-27(37)26(29(38)35-15-2-1-3-16-35)19-36(28(25)34-30)24-12-9-21-5-4-6-22(21)17-24/h7-12,17-19H,1-6,13-16,31H2,(H,32,33,34).
What are the key properties of 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one?
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 508.63 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-6-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 71096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).